2-(dimethylamino)butyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate

C15H24N2O3 — CID 141076511

IUPAC2-(dimethylamino)butyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate
SMILESC=CN1CCCC1C(=C=O)C(=O)OCC(CC)N(C)C
InChIInChI=1S/C15H24N2O3/c1-5-12(16(3)4)11-20-15(19)13(10-18)14-8-7-9-17(14)6-2/h6,12,14H,2,5,7-9,11H2,1,3-4H3
InChIKeyDAQJWZDGDDGVFC-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.24
Rot. Bonds7

About 2-(dimethylamino)butyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate

2-(dimethylamino)butyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate (PubChem CID 141076511) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(dimethylamino)butyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate.

Molecular Properties

Compound Name2-(dimethylamino)butyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate
PubChem CID141076511
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-(dimethylamino)butyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate
SMILESC=CN1CCCC1C(=C=O)C(=O)OCC(CC)N(C)C
InChIInChI=1S/C15H24N2O3/c1-5-12(16(3)4)11-20-15(19)13(10-18)14-8-7-9-17(14)6-2/h6,12,14H,2,5,7-9,11H2,1,3-4H3
InChIKeyDAQJWZDGDDGVFC-UHFFFAOYSA-N
XLogP1.24
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(dimethylamino)butyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)butyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate?
The IUPAC name of 2-(dimethylamino)butyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate (CID 141076511) is 2-(dimethylamino)butyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate.
What is the SMILES notation for 2-(dimethylamino)butyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate?
The canonical SMILES for 2-(dimethylamino)butyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate is C=CN1CCCC1C(=C=O)C(=O)OCC(CC)N(C)C.
What is the InChIKey of 2-(dimethylamino)butyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate?
The InChIKey is DAQJWZDGDDGVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-5-12(16(3)4)11-20-15(19)13(10-18)14-8-7-9-17(14)6-2/h6,12,14H,2,5,7-9,11H2,1,3-4H3.
What are the key properties of 2-(dimethylamino)butyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate?
2-(dimethylamino)butyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate has a molecular weight of 280.37 g/mol, XLogP of 1.24, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)butyl 2-(1-ethenylpyrrolidin-2-yl)-3-oxoprop-2-enoate is sourced from PubChem (CID 141076511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).